acetic acid;ethene;nickel

C4H7NiO2- — CID 154718775

IUPACacetic acid;ethene;nickel
SMILESCC(=O)O.[H][C-]=C.[Ni]
InChIInChI=1S/C2H4O2.C2H3.Ni/c1-2(3)4;1-2;/h1H3,(H,3,4);1H,2H2;/q;-1;
InChIKeyGHMLKFDCBXBARV-UHFFFAOYSA-N
MW145.79 g/mol
LogP0.69
Rot. Bonds

About acetic acid;ethene;nickel

acetic acid;ethene;nickel (PubChem CID 154718775) has the molecular formula C4H7NiO2- and a molecular weight of 145.79 g/mol. Its IUPAC name is acetic acid;ethene;nickel.

Molecular Properties

Compound Nameacetic acid;ethene;nickel
PubChem CID154718775
Molecular FormulaC4H7NiO2-
Molecular Weight145.79 g/mol
Exact Mass144.98
IUPAC Nameacetic acid;ethene;nickel
SMILESCC(=O)O.[H][C-]=C.[Ni]
InChIInChI=1S/C2H4O2.C2H3.Ni/c1-2(3)4;1-2;/h1H3,(H,3,4);1H,2H2;/q;-1;
InChIKeyGHMLKFDCBXBARV-UHFFFAOYSA-N
XLogP0.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.79
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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CID 173054099

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethene;nickel?
The IUPAC name of acetic acid;ethene;nickel (CID 154718775) is acetic acid;ethene;nickel.
What is the SMILES notation for acetic acid;ethene;nickel?
The canonical SMILES for acetic acid;ethene;nickel is CC(=O)O.[H][C-]=C.[Ni].
What is the InChIKey of acetic acid;ethene;nickel?
The InChIKey is GHMLKFDCBXBARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.C2H3.Ni/c1-2(3)4;1-2;/h1H3,(H,3,4);1H,2H2;/q;-1;.
What are the key properties of acetic acid;ethene;nickel?
acetic acid;ethene;nickel has a molecular weight of 145.79 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethene;nickel is sourced from PubChem (CID 154718775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).